# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral '$α$-P3N5'
_chemical_formula_sum 'N5 P3'

loop_
_publ_author_name
 'S. Horstmann'
 'E. Irran'
 'W. Schnick'
_journal_name_full_name
;
 Angewandte Chemie (International ed.)
;
_journal_volume 36
_journal_year 1997
_journal_page_first 1873
_journal_page_last 1875
_publ_Section_title
;
 Synthesis and Crystal Structure of Phosphorus(V) Nitride $α$-P$_{3}$N$_{5}$
;

_aflow_title '$\alpha$-P$_{3}$N$_{5}$ Structure'
_aflow_proto 'A5B3_mC32_9_5a_3a'
_aflow_params 'a,b/a,c/a,\beta,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8}'
_aflow_params_values '8.12077,0.718445418353,1.12797801194,115.809,0.009,-0.003,0.269,0.129,0.341,0.45,0.37,0.119,0.066,0.142,0.351,0.147,0.356,0.135,0.348,0.0,0.5182,0.0,0.136,0.2,0.309,0.365,0.2924,0.196'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mC32'

_symmetry_space_group_name_H-M "C 1 c 1"
_symmetry_Int_Tables_number 9
 
_cell_length_a    8.12077
_cell_length_b    5.83433
_cell_length_c    9.16005
_cell_angle_alpha 90.00000
_cell_angle_beta  115.80900
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,z+1/2
3 x+1/2,y+1/2,z
4 x+1/2,-y+1/2,z+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N   4 a 0.00900 -0.00300 0.26900 1.00000
N2 N   4 a 0.12900 0.34100 0.45000 1.00000
N3 N   4 a 0.37000 0.11900 0.06600 1.00000
N4 N   4 a 0.14200 0.35100 0.14700 1.00000
N5 N   4 a 0.35600 0.13500 0.34800 1.00000
P1 P   4 a 0.00000 0.51820 0.00000 1.00000
P2 P   4 a 0.13600 0.20000 0.30900 1.00000
P3 P   4 a 0.36500 0.29240 0.19600 1.00000
